C15 H19 Cl N2 O
XG2
3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazol...Show more
Formula
Standard InChI
InChI=1S/C15H19ClN2O/c1-10-7-14(19-9-11-5-6-17-18-11)12(8-13(10)16)15(2,3)4/h5-8H,9H2,1-4H3,(H,17,18)
Standard InChI Key
FAVDADVSTHHSOU-UHFFFAOYSA-N
SMILES
Cc1cc(c(cc1Cl)C(C)(C)C)OCc2cc[nH]n2
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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